# AA SS3 SS8 ASA HSEa-u HSEa-d CN13 theta tau phi psi P(3-C) P(3-E) P(3-H) P(8-C) P(8-S) P(8-T) P(8-H) P(8-G) P(8-I) P(8-E) P(8-B) 0 M C C 110.51 4.84 11.49 17.88 112.64 -149.10 -87.56 127.74 99.47 0.23 0.30 99.29 0.18 0.12 0.22 0.02 0.00 0.10 0.06 1 K C C 137.90 2.51 9.85 13.76 105.45 -135.17 -78.56 51.34 66.98 1.94 31.09 62.14 0.94 3.53 30.84 0.97 0.00 0.80 0.78 2 T H H 88.94 2.56 9.25 13.07 99.44 75.92 -72.48 -31.76 39.00 1.29 59.71 29.82 4.20 4.97 58.76 1.24 0.00 0.53 0.47 3 I H H 112.54 1.91 10.33 13.13 94.36 58.15 -67.06 -37.98 9.85 0.27 89.88 6.77 1.21 2.16 88.79 0.86 0.00 0.14 0.07 4 I H H 105.37 1.82 11.59 13.88 92.77 52.03 -66.01 -40.84 3.00 0.11 96.89 1.80 0.38 0.94 96.22 0.57 0.00 0.06 0.02 5 F H H 119.15 2.22 12.36 15.31 92.62 50.04 -66.38 -39.75 1.15 0.03 98.82 0.55 0.14 0.45 98.53 0.31 0.00 0.02 0.00 6 A H H 60.06 2.45 12.54 15.88 92.24 51.84 -64.07 -41.00 0.44 0.01 99.55 0.14 0.04 0.20 99.50 0.11 0.00 0.00 0.00 7 I H H 104.43 1.72 14.14 15.69 92.30 50.14 -65.27 -40.79 0.26 0.00 99.74 0.06 0.02 0.14 99.72 0.07 0.00 0.00 0.00 8 L H H 98.41 2.03 14.40 16.49 92.30 49.86 -64.97 -40.99 0.25 0.00 99.75 0.04 0.01 0.15 99.73 0.07 0.00 0.00 0.00 9 M H H 101.85 2.81 14.57 17.86 92.31 49.67 -65.28 -41.21 0.35 0.00 99.64 0.04 0.02 0.23 99.63 0.08 0.00 0.00 0.00 10 T H H 76.70 2.54 14.84 17.57 92.15 50.65 -64.35 -41.35 0.39 0.00 99.61 0.04 0.02 0.27 99.58 0.09 0.00 0.00 0.00 11 G H H 40.87 2.08 14.75 16.87 92.12 50.72 -64.65 -41.12 0.77 0.00 99.23 0.07 0.04 0.58 99.07 0.24 0.00 0.00 0.00 12 L H H 97.73 2.31 14.76 17.27 92.36 49.73 -65.38 -41.04 0.86 0.00 99.14 0.06 0.05 0.70 98.78 0.42 0.00 0.00 0.00 13 L H H 92.63 3.36 13.85 17.76 92.41 50.03 -65.36 -40.26 1.60 0.01 98.39 0.13 0.10 1.30 97.47 1.00 0.00 0.00 0.00 14 S H H 66.78 2.20 13.75 16.25 92.59 51.18 -66.38 -37.23 7.06 0.02 92.92 0.50 0.45 6.03 90.32 2.65 0.02 0.01 0.01 15 A H H 74.10 1.76 12.71 14.76 92.83 54.16 -68.58 -30.17 21.27 0.12 78.61 1.87 1.91 17.38 73.78 4.86 0.07 0.05 0.08 16 C H H 84.38 3.37 10.62 15.35 96.04 55.35 -79.60 -12.08 39.98 0.92 59.10 9.99 6.49 25.21 50.28 6.83 0.18 0.42 0.59 17 A C H 79.51 2.78 10.15 14.38 98.26 74.08 -77.05 -14.20 60.49 3.12 36.39 24.25 13.46 25.10 28.37 5.64 0.15 1.27 1.75 18 S C C 91.34 1.26 11.21 12.66 105.04 64.07 -88.15 28.74 78.16 2.58 19.25 32.36 23.12 23.55 13.63 4.69 0.04 0.99 1.63 19 A C C 72.26 3.89 8.30 14.25 116.63 107.95 -83.35 142.94 98.37 0.98 0.64 57.63 39.60 1.30 0.31 0.25 0.00 0.35 0.55 20 P C C 104.02 2.22 9.80 13.61 112.93 -102.32 -68.19 147.30 98.58 1.01 0.41 88.89 8.47 1.17 0.15 0.21 0.00 0.41 0.68 21 K C C 158.47 1.84 9.91 13.49 114.58 -117.90 -90.26 131.01 98.22 1.66 0.12 91.60 6.35 0.23 0.05 0.05 0.00 0.60 1.11 22 P C C 84.34 5.71 7.83 15.50 114.47 -108.98 -65.68 148.87 98.36 1.26 0.38 94.30 3.34 0.79 0.12 0.21 0.00 0.55 0.69 23 K C C 161.10 1.33 10.95 13.11 113.12 -108.08 -78.05 139.93 97.45 2.10 0.45 84.76 11.33 0.91 0.16 0.27 0.00 0.65 1.92 24 Q C C 129.08 2.98 8.78 13.85 114.88 -115.38 -87.00 134.05 98.71 1.11 0.18 85.39 12.93 0.30 0.07 0.09 0.00 0.37 0.84 25 P C C 81.98 4.85 7.64 14.36 112.39 -111.28 -67.69 149.85 91.34 1.28 7.37 74.00 5.82 10.60 1.39 6.73 0.00 0.67 0.79 26 S C C 80.57 1.80 9.23 11.97 112.78 -120.03 -86.07 149.30 86.84 1.86 11.30 44.38 20.17 21.53 1.75 10.15 0.00 0.78 1.25 27 D C C 116.64 1.89 8.33 11.63 98.32 -103.27 -74.94 -11.08 74.40 2.17 23.43 26.75 24.77 22.91 2.79 20.31 0.01 0.92 1.55 28 F C T 165.25 1.24 8.90 10.94 97.04 66.03 -78.24 -14.66 75.95 0.93 23.12 9.75 14.77 50.20 2.08 22.13 0.00 0.49 0.58 29 N C T 116.70 2.08 9.38 12.69 100.92 51.09 -91.27 17.72 79.06 2.07 18.87 18.84 15.14 44.48 1.86 17.62 0.00 1.20 0.86 30 R C C 136.46 4.65 8.01 14.72 115.14 119.90 -89.50 134.62 79.36 13.67 6.97 56.75 15.71 5.47 1.84 5.61 0.01 7.16 7.45 31 E C C 122.00 3.08 9.98 14.89 118.67 -156.69 -102.30 135.92 82.52 16.51 0.97 64.22 17.60 0.82 0.58 0.46 0.00 11.75 4.56 32 P C C 87.03 4.01 10.64 16.46 113.73 -108.66 -65.45 145.38 73.18 23.40 3.42 66.76 3.25 1.94 1.67 1.79 0.00 16.32 8.27 33 V C C 104.75 4.40 9.37 15.25 99.49 -134.38 -78.86 -18.77 79.69 4.08 16.23 35.17 19.34 25.85 3.08 12.67 0.02 2.21 1.66 34 N C C 99.66 4.24 9.41 15.24 107.04 56.08 -94.91 89.61 78.74 3.12 18.14 34.81 16.86 27.81 3.34 14.15 0.01 1.53 1.50 35 K C C 156.05 1.85 11.08 14.05 100.63 148.36 -87.99 -8.40 80.07 2.48 17.45 31.64 26.74 22.32 3.66 13.13 0.01 1.21 1.28 36 T C C 99.10 1.92 11.75 14.68 118.16 57.08 -109.20 132.04 81.90 5.15 12.95 38.39 25.07 19.32 4.00 8.13 0.03 2.38 2.68 37 V C C 74.41 7.27 8.22 17.11 115.45 -136.17 -85.57 136.37 96.42 2.45 1.13 60.52 35.78 0.51 1.04 0.19 0.00 0.93 1.04 38 P C C 64.90 4.16 11.01 17.24 111.60 -110.10 -64.49 146.43 95.01 1.24 3.75 93.70 1.15 0.50 3.40 0.25 0.00 0.48 0.53 39 V H H 104.00 2.17 10.54 13.97 93.53 -120.28 -61.18 -37.43 8.10 0.13 91.77 2.87 1.60 4.14 85.38 5.88 0.02 0.07 0.04 40 E H H 124.87 1.61 11.11 13.28 93.43 55.22 -66.53 -37.53 5.79 0.25 93.96 1.97 0.89 3.19 86.89 6.79 0.02 0.21 0.05 41 I H H 91.59 3.56 9.56 14.76 93.84 48.63 -69.37 -37.76 4.49 0.27 95.25 1.65 0.68 2.32 87.62 7.44 0.01 0.23 0.04 42 Q H H 116.74 2.58 9.85 13.86 94.09 50.79 -70.28 -30.75 10.61 0.42 88.97 3.39 1.80 6.11 83.96 4.28 0.06 0.26 0.13 43 R H H 168.07 1.32 10.16 11.97 97.19 50.22 -82.28 -9.67 49.23 0.48 50.29 4.30 4.83 39.49 47.83 2.94 0.12 0.21 0.28 44 G C T 54.74 2.21 9.16 12.75 100.89 -100.15 54.47 4.82 74.57 0.62 24.80 10.42 7.94 54.84 23.56 2.59 0.02 0.27 0.35 45 A C C 79.08 2.37 8.07 12.07 103.19 103.89 -83.76 2.49 87.15 2.03 10.82 70.58 2.83 13.55 8.98 1.86 0.00 1.05 1.15 46 L C C 111.54 4.21 10.23 15.98 105.63 68.86 -86.73 30.85 99.73 0.20 0.07 99.54 0.17 0.10 0.04 0.01 0.00 0.11 0.03